SCHEMBL7776706

SCHEMBL7776706

CCCCCCCNC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PPARA Q07869 2/20 0.39
GBA1 P04062 1/20 0.38
CASP2 P42575 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL983390 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL668300 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL7777014 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL668098 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL5508330 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL5504517 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL15171894 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL41714 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL8421553 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL7174533 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840977-A CYCLOHEXANOL UREA DERIVATIVE AS INTERMEDIATE FUJIREBIO INC. (JP) 1998-11-24 US claimed
EP-0612740-A1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO Inc. (JP) 1994-08-31 EP claimed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME MEDSHINE DISCOVERY INC. (CN) 2023-05-25 US disclosed
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-20210338824-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-11-04 US disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
EP-0612740-B1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO KK (JP) 1999-09-22 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
US-5840977-A CYCLOHEXANOL UREA DERIVATIVE AS INTERMEDIATE FUJIREBIO INC. (JP) 1998-11-24 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed
US-5719298-A REACTING PANTOTHENIC ACID ACETONIDE WITH UREA COMPOUND IN THE PRESENCE OF ACYLATING AGENT FUJIREBIO INC. (JP) 1998-02-17 US disclosed
EP-0612740-A1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO Inc. (JP) 1994-08-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 EPHX1 4146/4885TSHR 4881/4885ALDH1A1 3650/4885
US-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AHR, ARNT, NR4A1 EPHX1 1923/4885TSHR 21/4885ALDH1A1 750/4885
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AHR, ARNT, NR4A1 EPHX1 1923/4885TSHR 21/4885ALDH1A1 750/4885
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME PSMA6, PSMC1, PSMA1 EPHX1 3172/4885TSHR 2782/4885ALDH1A1 4341/4885
US-20210338824-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR EPHX1 4779/4885TSHR 3817/4885ALDH1A1 4803/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 EPHX1 3151/4885TSHR 3600/4885ALDH1A1 1971/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 EPHX1 4176/4885TSHR 1595/4885ALDH1A1 3735/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT EPHX1 1534/4885TSHR 4749/4885ALDH1A1 970/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 EPHX1 4127/4885TSHR 1050/4885ALDH1A1 4548/4885
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 EPHX1 3906/4885TSHR 1259/4885ALDH1A1 1800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.